structural formula

business number	01tm
molecular formula	c10h6o3s
molecular weight	206.22
label	1,8-naphthalenesultone, 1-naphthol-8-sulfonic acid sultone, 8-hydroxynaphthalene-1-sulfonic acid sultone

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:83-31-8

mdl number:mfcd00005937

einecs number:201-468-0

rtecs number:none

brn number:9381

pubchem number:24859025

physical property data

1. character:light yellow needle-shaped crystal

2. density (g/ml,25/4℃): unsure

3. relative vapor density (g /ml,air= 1): unsure

4. melting point (ºc):154-161 ℃

5. boiling point (ºc,normal pressure): unsure

6. boiling point (ºc,5.2kpa): unsure

7. refractive index: uncertain

8. flashpoint (ºc): unsure

9. specific optical rotation (º): unsure

10. autoignition point or ignition temperature (ºc): unsure

11. vapor pressure (kpa,25ºc): unsure

12. saturated vapor pressure (kpa,60ºc): unsure

13. heat of combustion (kj/mol): unsure

14. critical temperature (ºc): unsure

15. critical pressure (kpa): unsure

16. oil and water (octanol/log value of water) partition coefficient: uncertain

17. explosion limit ( %,v/v): unsure

18. lower explosion limit (%,v/v): unsure

19. solubility: uncertain.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index:52.81

2. molar volume (m³/mol）：132.5

3. isotonic specific volume (90.2k):374.4

4. surface tension (dyne/cm):63.7

5. polarizability（10^-24cm³):20.93

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 2.3

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 51.8

7. number of heavy atoms: 14

8. surface charge: 0

9. complexity: 330

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none

storage method

save in a sealed, cool and dark place.

synthesis method

none

purpose

for organic synthesis. organic synthesis intermediates.

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